MMsINC Database Search


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MMsINC code: MMs02054191

Type: Neutral
Formula: C₁₅H₁₃F₂NO₃S

SMILES:

S(=O)(=O)(CC(=O)Nc1ccc(F)cc1F)c1ccc(cc1)C

InChI:

InChI=1/C15H13F2NO3S/c1-10-2-5-12(6-3-10)22(20,21)9-15(19)18-14-7-4-11(16)8-13(14)17/h2-8H,9H2,1H3,(H,18,19)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=55.6626 kcal/mol

Physical Properties
Molecular Weight: 325.335 g/mol	logS: -4.58588	SlogP: 2.68562	Reactive groups: 0

Topological Properties
Globularity: 0.0391479	Sterimol/B1: 2.78434	Sterimol/B2: 3.57403	Sterimol/B3: 4.36496
Sterimol/B4: 4.71413	Sterimol/L: 18.1155

Surface and Volume Properties
Accessible surface: 538.059	Positive charged surface: 261.669	Negative charged surface: 276.39	Volume: 271.625
Hydrophobic surface: 446.118	Hydrophilic surface: 91.941

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 3	Acid groups: 0	Basic groups: 0
Chiral centers: 0

Drug- and Lead-like Properties
Lipinski's drug-like rule: 1	Violations of Lipinski's rule: 0	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.